N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide

C22H17N5O5 — CID 6010711

IUPACN'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H17N5O5/c28-20(24-16-8-2-1-3-9-16)18-11-4-5-12-19(18)25-21(29)22(30)26-23-14-15-7-6-10-17(13-15)27(31)32/h1-14H,(H,24,28)(H,25,29)(H,26,30)/b23-14-
InChIKeyLFGKAYPKHURNQT-UCQKPKSFSA-N
MW431.41 g/mol
LogP2.94
Rot. Bonds6

About N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide

N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide (PubChem CID 6010711) has the molecular formula C22H17N5O5 and a molecular weight of 431.41 g/mol. Its IUPAC name is N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
PubChem CID6010711
Molecular FormulaC22H17N5O5
Molecular Weight431.41 g/mol
Exact Mass431.12
IUPAC NameN'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
SMILESO=C(N/N=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H17N5O5/c28-20(24-16-8-2-1-3-9-16)18-11-4-5-12-19(18)25-21(29)22(30)26-23-14-15-7-6-10-17(13-15)27(31)32/h1-14H,(H,24,28)(H,25,29)(H,26,30)/b23-14-
InChIKeyLFGKAYPKHURNQT-UCQKPKSFSA-N
XLogP2.94
TPSA142.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4091193
2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 94849409
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5050166
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide
CID 6019349
N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 5060623
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide
CID 4148017
N'-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide
CID 136919379
N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5189069
N-(3-chlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 606165
N-(4-anilinophenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 17176013
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 92844365
N-(2,6-dimethylphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 8898610

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
The IUPAC name of N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide (CID 6010711) is N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide is O=C(N/N=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
The InChIKey is LFGKAYPKHURNQT-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H17N5O5/c28-20(24-16-8-2-1-3-9-16)18-11-4-5-12-19(18)25-21(29)22(30)26-23-14-15-7-6-10-17(13-15)27(31)32/h1-14H,(H,24,28)(H,25,29)(H,26,30)/b23-14-.
What are the key properties of N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide has a molecular weight of 431.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 6010711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).